3-nitro-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3-nitro-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3-nitro-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3-nitro-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-nitro-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3-nitro-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C16H12N4O3S2 MolecularWeight: 372.42148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O3S2/c21-15(11-5-4-6-12(9-11)20(22)23)17-16-19-18-14(25-16)10-24-13-7-2-1-3-8-13/h1-9H,10H2,(H,17,19,21)